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2-(4-Methylphenyl)-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
SpectraBase Compound ID EnjTmaKsEmb
InChI InChI=1S/C12H9N3OS/c1-8-2-4-9(5-3-8)11-14-15-10(16)6-7-13-12(15)17-11/h2-7H,1H3
InChIKey MKSBUSWNPZOIIU-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C12H9N3OS
Exact Mass 243.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcJK3wOJRAJ
Name 2-(4-Methylphenyl)-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
Alternate Name(s) 2-(p-tolyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3OS
InChI InChI=1S/C12H9N3OS/c1-8-2-4-9(5-3-8)11-14-15-10(16)6-7-13-12(15)17-11/h2-7H,1H3
InChIKey MKSBUSWNPZOIIU-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4RA02714K
Molecular Weight 243.284 g/mol
SMILES C12=NC=CC(N2N=C(S1)c1ccc(cc1)C)=O
SPLASH splash10-000e-9430000000-cc705fa5a24a5a7bdfec
Source of Spectrum RSA-4-55827/SM3-3b
Wiley ID 1805476